CID 176456

Rutalinium

Structural Information

Molecular Formula
C16H20NO4
SMILES
CC1(C(CC2=C(C3=C(C=CC(=C3)O)[N+](=C2O1)C)OC)O)C
InChI
InChI=1S/C16H19NO4/c1-16(2)13(19)8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-16/h5-7,13,19H,8H2,1-4H3/p+1
InChIKey
YNZXAOOXQYAYLT-UHFFFAOYSA-O
Compound name
5-methoxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-10-ium-3,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.13922 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14650 167.4
[M+Na]+ 313.12844 177.6
[M-H]- 289.13194 170.7
[M+NH4]+ 308.17304 183.8
[M+K]+ 329.10238 169.4
[M+H-H2O]+ 273.13648 163.3
[M+HCOO]- 335.13742 181.3
[M+CH3COO]- 349.15307 194.3
[M+Na-2H]- 311.11389 175.6
[M]+ 290.13867 169.2
[M]- 290.13977 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe